5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine

C20H25N7S — CID 45482752

IUPAC5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine
SMILESNc1cnc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C20H25N7S/c21-18-13-22-16(12-23-18)14-10-17-19(24-11-14)25-20(28-17)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h10-13,15H,1-9H2,(H2,21,23)
InChIKeyCFCMQQZGILKVFV-UHFFFAOYSA-N
MW395.54 g/mol
LogP3.19
Rot. Bonds3

About 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine

5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine (PubChem CID 45482752) has the molecular formula C20H25N7S and a molecular weight of 395.54 g/mol. Its IUPAC name is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine
PubChem CID45482752
Molecular FormulaC20H25N7S
Molecular Weight395.54 g/mol
Exact Mass395.19
IUPAC Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine
SMILESNc1cnc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C20H25N7S/c21-18-13-22-16(12-23-18)14-10-17-19(24-11-14)25-20(28-17)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h10-13,15H,1-9H2,(H2,21,23)
InChIKeyCFCMQQZGILKVFV-UHFFFAOYSA-N
XLogP3.19
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine?
The IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine (CID 45482752) is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine?
The canonical SMILES for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine is Nc1cnc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.
What is the InChIKey of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine?
The InChIKey is CFCMQQZGILKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7S/c21-18-13-22-16(12-23-18)14-10-17-19(24-11-14)25-20(28-17)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h10-13,15H,1-9H2,(H2,21,23).
What are the key properties of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine?
5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine has a molecular weight of 395.54 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 45482752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).